(4S,7R)-7,8,8-Trimethyl-4,5,6,7-tetrahydro-4,7-methano-1H(2H)-indazole (campho[2,3-c]pyrazole): comparison between the X-ray structure and carbon-13 NMR data in the solid state

Abstract

CllH16N2, Mr = 176.26, monoclinic, P21, a = 13.4077 (3), b = 12.6064 (3), c = 19.0523 (6)/~, fl = 98.392 (2) °, V= 3185.6 (2)/~3, Z= 12, Dx = 1.102 g cm -3, A(Cu Ka) = 1.5418/~, # = 4.777 cm-l, F(000) = 1152, T = 295 K, R = 0.059 for 5489 observed reflections. The six independent mol- ecules in the asymmetric unit are associated into two trimers through quite linear N--H...N bonds. The ~3C NMR spectra (CP/MAS technique) of the title compound presents a sixfold multiplicity for most C atoms.